Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGAV | P06756 | 18/20 | 0.49 |
| ▸ | ITGB6 | P18564 | 14/20 | 0.49 |
| ▸ | ITGB3 | P05106 | 5/20 | 0.49 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.44 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.44 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL13355144 | 0.82 | CXCR4 (0.59) | ITGAVITGB6ITGB3ITGB5CXCR4 | |
| SCHEMBL20141261 | 0.82 | ITGAV (0.47) | ITGAVITGB6ITGB3ITGB5 | |
| SCHEMBL22029454 | 0.80 | ITGAV (0.75) | ITGAVITGB6ITGB3ITGB5 | |
| SCHEMBL5252354 | 0.80 | ITGAV (0.53) | ITGAVITGB6ITGB3ITGB5CXCR4 | |
| SCHEMBL20158193 | 0.79 | ITGAV (0.52) | ITGAVITGB6ITGB3ITGB5 | |
| SCHEMBL29702288 | 0.79 | ITGAV (0.56) | ITGAVITGB6ITGB3ITGB5 | |
| SCHEMBL21317569 | 0.79 | ITGAV (0.56) | ITGAVITGB6ITGB3ITGB5 | |
| SCHEMBL30487529 | 0.78 | ITGAV (0.53) | ITGAVITGB6ITGB3ITGB5 | |
| SCHEMBL20158048 | 0.78 | ITGAV (0.53) | ITGAVITGB6ITGB3ITGB5 | |
| SCHEMBL6265738 | 0.78 | ITGAV (0.56) | ITGAVITGB6ITGB3ITGB5 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018089355-A1 | CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-05-17 | — | — | WO | disclosed |